2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid

C14H15NO2S — CID 82302250

IUPAC2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(CCc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-10-3-5-11(6-4-10)7-8-13-15-12(9-18-13)14(16)17/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyYCBAKFNMRRMBGC-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds5

About 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 82302250) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID82302250
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(CCc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-10-3-5-11(6-4-10)7-8-13-15-12(9-18-13)14(16)17/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyYCBAKFNMRRMBGC-UHFFFAOYSA-N
XLogP3.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
2-[3-(4-ethylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054905
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244722
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
2-[2-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82295816
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[[3-(4-methylphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380847
2-[(3,4-dimethylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 62900341
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid (CID 82302250) is 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid is CCc1ccc(CCc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YCBAKFNMRRMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-10-3-5-11(6-4-10)7-8-13-15-12(9-18-13)14(16)17/h3-6,9H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 261.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82302250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).